2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid

C13H20N2O4 — CID 53389145

IUPAC2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid
SMILESCN1CC(=O)N(CC(=O)O)C(=O)C12CCCCCC2
InChIInChI=1S/C13H20N2O4/c1-14-8-10(16)15(9-11(17)18)12(19)13(14)6-4-2-3-5-7-13/h2-9H2,1H3,(H,17,18)
InChIKeyPRQKJVUSYDXETC-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.46
Rot. Bonds2

About 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid

2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid (PubChem CID 53389145) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid
PubChem CID53389145
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid
SMILESCN1CC(=O)N(CC(=O)O)C(=O)C12CCCCCC2
InChIInChI=1S/C13H20N2O4/c1-14-8-10(16)15(9-11(17)18)12(19)13(14)6-4-2-3-5-7-13/h2-9H2,1H3,(H,17,18)
InChIKeyPRQKJVUSYDXETC-UHFFFAOYSA-N
XLogP0.46
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)acetate
CID 53388993
2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide
CID 53389146
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
1-methyl-1,4-diazaspiro[5.7]tridecane-3,5-dione
CID 53388991
3-[2-(azetidin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 127271628
4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid
CID 119352697
2-(1-methyl-3-oxo-1,2-diazaspiro[4.4]nonan-2-yl)acetic acid
CID 105465896
2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid
CID 90330211
1-methyl-1-azaspiro[4.6]undecan-4-one
CID 18468802
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55367108
2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid
CID 79456834
N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 62518811

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid?
The IUPAC name of 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid (CID 53389145) is 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid is CN1CC(=O)N(CC(=O)O)C(=O)C12CCCCCC2.
What is the InChIKey of 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid?
The InChIKey is PRQKJVUSYDXETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14-8-10(16)15(9-11(17)18)12(19)13(14)6-4-2-3-5-7-13/h2-9H2,1H3,(H,17,18).
What are the key properties of 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid?
2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.6]dodecan-4-yl)acetic acid is sourced from PubChem (CID 53389145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).